Geometry & MOs

Info

ID:	166711
PubChem CID:	74724230
Reduced:	O2S2N5C24H24 (1)
Stoich.:	A2B2C5D24E24 (1)
Weight, g/mol:	505.176834
ΔH_f, kcal/mol:	65.46
Dipole, Da:	7.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.078155
Charge, e:	0

Chem-info

IUPAC name:

diethyl 4-[5-(4-chlorophenyl)-2-phenylpyrazol-3-yl]-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C(=O)[NH+]3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CC5=CC=CC=C5

DOS

IR

Vibrations